CID 108266

N,n-bis(2-hydroxypropyl)dodecanamide

Structural Information

Molecular Formula
C18H37NO3
SMILES
CCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O
InChI
InChI=1S/C18H37NO3/c1-4-5-6-7-8-9-10-11-12-13-18(22)19(14-16(2)20)15-17(3)21/h16-17,20-21H,4-15H2,1-3H3
InChIKey
ITQLLPIWYFCLTO-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxypropyl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

315.27734 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.28462 187.9
[M+Na]+ 338.26656 188.2
[M-H]- 314.27006 184.7
[M+NH4]+ 333.31116 201.3
[M+K]+ 354.24050 186.8
[M+H-H2O]+ 298.27460 180.9
[M+HCOO]- 360.27554 204.2
[M+CH3COO]- 374.29119 213.2
[M+Na-2H]- 336.25201 183.2
[M]+ 315.27679 191.9
[M]- 315.27789 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe